1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one

C12H14ClNO4S — CID 3086693

IUPAC1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyXAGXMRNGASWAAB-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.01
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one

1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one (PubChem CID 3086693) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
PubChem CID3086693
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one
SMILESCCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKeyXAGXMRNGASWAAB-UHFFFAOYSA-N
XLogP2.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one (CID 3086693) is 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one is CCOC1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
The InChIKey is XAGXMRNGASWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one?
1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one has a molecular weight of 303.77 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-ethoxypyrrolidin-2-one is sourced from PubChem (CID 3086693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).